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1-(4-Nitrophenyl)-5-(5-methylaminopentyl)-3-(4-bromophenyl)pyrazole hydrochloride salt
SpectraBase Compound ID 3EKsChA3P1e
InChI InChI=1S/C21H23BrN4O2.ClH/c1-23-14-4-2-3-5-20-15-21(16-6-8-17(22)9-7-16)24-25(20)18-10-12-19(13-11-18)26(27)28;/h6-13,15,23H,2-5,14H2,1H3;1H
InChIKey QSUPMBKYXJVSDI-UHFFFAOYSA-N
Mol Weight 479.81 g/mol
Molecular Formula C21H24BrClN4O2
Exact Mass 478.077117 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGM4pAhe9H
Name 1-(4-Nitrophenyl)-5-(5-methylaminopentyl)-3-(4-bromophenyl)pyrazole hydrochloride salt
Alternate Name(s) {5-[3-(4-bromophenyl)-1-(4-nitrophenyl)-1H-pyrazol-5-yl]pentyl}(methyl)amine hydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24BrClN4O2
InChI InChI=1S/C21H23BrN4O2.ClH/c1-23-14-4-2-3-5-20-15-21(16-6-8-17(22)9-7-16)24-25(20)18-10-12-19(13-11-18)26(27)28;/h6-13,15,23H,2-5,14H2,1H3;1H
InChIKey QSUPMBKYXJVSDI-UHFFFAOYSA-N
Molecular Weight 479.806 g/mol
SMILES Cl.N(CCCCCc1[n](nc(c1)-c1ccc(cc1)Br)-c1ccc(N(=O)=O)cc1)C
SPLASH splash10-0006-9001000000-7b49272bfa408544fc4a
Source of Spectrum SO-0-1155-10
Wiley ID 1542738